CID 211072

Dtxsid20944831

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCCC(CCC)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C
InChI
InChI=1S/C15H22N2O3/c1-4-6-12(7-5-2)15(18)16-14-10-13(17(19)20)9-8-11(14)3/h8-10,12H,4-7H2,1-3H3,(H,16,18)
InChIKey
ZIULSXOXQQTKIM-UHFFFAOYSA-N
Compound name
N-(2-methyl-5-nitrophenyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 167.1
[M+Na]+ 301.152278 171.4
[M-H]- 277.155784 170.2
[M+NH4]+ 296.196883 182.2
[M+K]+ 317.126218 165.2
[M+H-H2O]+ 261.160320 164.6
[M+HCOO]- 323.161261 190.2
[M+CH3COO]- 337.176911 199.7
[M+Na-2H]- 299.137726 169.4
[M]+ 278.16251142 167.3
[M]- 278.16360858 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.